5-ethoxypyrazin-2-amine

• ChemBase ID: 88151
• Molecular Formular: C6H9N3O
• Molecular Mass: 139.15516
• Monoisotopic Mass: 139.07456192
• SMILES: n1c(cnc(c1)OCC)N
• Canonical SMILES: CCOc1cnc(cn1)N
• InChI: InChI=1S/C6H9N3O/c1-2-10-6-4-8-5(7)3-9-6/h3-4H,2H2,1H3,(H2,7,8)
• InChIKey: NFENSUDOADHXHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethoxypyrazin-2-amine
• IUPAC Traditional name: 5-ethoxypyrazin-2-amine
• Synonyms: 5-Ethoxypyrazin-2-amine; 2-Amino-5-ethoxypyrazine

Database IDs

• CAS Number: 647843-58-1
• PubChem SID: 162075180
• PubChem CID: 45789665

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.096974656
• LogD (pH = 7.4): 0.0970261
• Log P: 0.09702676
• Molar Refractivity: 38.2834 cm^3
• Polarizability: 14.063291 Å^3
• Polar Surface Area: 61.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant/Keep Cold

Product Information

• Purity: 95+%